cyclononylmethanethiol

C10H20S — CID 88545398

IUPACcyclononylmethanethiol
SMILESSCC1CCCCCCCC1
InChIInChI=1S/C10H20S/c11-9-10-7-5-3-1-2-4-6-8-10/h10-11H,1-9H2
InChIKeyYMGKEJMRPRYZSS-UHFFFAOYSA-N
MW172.34 g/mol
LogP3.67
Rot. Bonds1

About cyclononylmethanethiol

cyclononylmethanethiol (PubChem CID 88545398) has the molecular formula C10H20S and a molecular weight of 172.34 g/mol. Its IUPAC name is cyclononylmethanethiol.

Molecular Properties

Compound Namecyclononylmethanethiol
PubChem CID88545398
Molecular FormulaC10H20S
Molecular Weight172.34 g/mol
Exact Mass172.13
IUPAC Namecyclononylmethanethiol
SMILESSCC1CCCCCCCC1
InChIInChI=1S/C10H20S/c11-9-10-7-5-3-1-2-4-6-8-10/h10-11H,1-9H2
InChIKeyYMGKEJMRPRYZSS-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.34
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-cyclohexylcycloheptyl)methanethiol
CID 154979305
acetic acid;cyclohexylmethanethiol
CID 57346586
cyclononylmethylphosphane
CID 146293630
cyclopentadecylmethylcyclopentadecane
CID 91804599
[4-(cyclopentylmethyl)cyclohexyl]methylcycloheptane
CID 140856779
thian-3-ylmethanethiol
CID 83678909
[4-[[[4-(sulfanylmethyl)cyclohexyl]methyldisulfanyl]methyl]cyclohexyl]methanethiol
CID 140828539
cyclotetradecylmethanol
CID 23468347
CID 57418033
CID 57418033
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
carbanide;bis(cyclopentane);cyclopentylmethylcyclopentane;bis(iron(2+))
CID 162297269
3-cyclohexadecylpropylcyclohexadecane
CID 57270632

Frequently Asked Questions

What is the IUPAC name of cyclononylmethanethiol?
The IUPAC name of cyclononylmethanethiol (CID 88545398) is cyclononylmethanethiol.
What is the SMILES notation for cyclononylmethanethiol?
The canonical SMILES for cyclononylmethanethiol is SCC1CCCCCCCC1.
What is the InChIKey of cyclononylmethanethiol?
The InChIKey is YMGKEJMRPRYZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20S/c11-9-10-7-5-3-1-2-4-6-8-10/h10-11H,1-9H2.
What are the key properties of cyclononylmethanethiol?
cyclononylmethanethiol has a molecular weight of 172.34 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclononylmethanethiol is sourced from PubChem (CID 88545398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).